5-[ethyl-(2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid

C16H16N2O3 — CID 43414865

IUPAC5-[ethyl-(2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCN(C(=O)c1ccc(C(=O)O)nc1)c1ccccc1C
InChIInChI=1S/C16H16N2O3/c1-3-18(14-7-5-4-6-11(14)2)15(19)12-8-9-13(16(20)21)17-10-12/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyLRFCWVBABZEXEU-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.75
Rot. Bonds4

About 5-[ethyl-(2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid

5-[ethyl-(2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 43414865) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-[ethyl-(2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl-(2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID43414865
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name5-[ethyl-(2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCN(C(=O)c1ccc(C(=O)O)nc1)c1ccccc1C
InChIInChI=1S/C16H16N2O3/c1-3-18(14-7-5-4-6-11(14)2)15(19)12-8-9-13(16(20)21)17-10-12/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyLRFCWVBABZEXEU-UHFFFAOYSA-N
XLogP2.75
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide
CID 66464248
3-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)benzamide
CID 79467562
3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide
CID 61091736
4-amino-N-ethyl-6-methyl-N-(2-methylphenyl)pyridine-3-carboxamide
CID 81234362
N-ethyl-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857873
5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414824
N-ethyl-5-methyl-N-(2-methylphenyl)-2-phenyltriazole-4-carboxamide
CID 46550128
5-bromo-N-ethyl-N-(2-methylphenyl)thiophene-3-carboxamide
CID 43424615
3-benzamido-N-ethyl-N-(2-methylphenyl)benzamide
CID 5158190
5-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-2-carboxylic acid
CID 60725372
6-chloro-N-ethyl-N-(5-hydroxy-2-methylphenyl)pyridine-3-carboxamide
CID 107856541
N-(2-hydroxyethyl)-N-(2-methylphenyl)benzamide
CID 91188754

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-(2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[ethyl-(2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid (CID 43414865) is 5-[ethyl-(2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[ethyl-(2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[ethyl-(2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid is CCN(C(=O)c1ccc(C(=O)O)nc1)c1ccccc1C.
What is the InChIKey of 5-[ethyl-(2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is LRFCWVBABZEXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-3-18(14-7-5-4-6-11(14)2)15(19)12-8-9-13(16(20)21)17-10-12/h4-10H,3H2,1-2H3,(H,20,21).
What are the key properties of 5-[ethyl-(2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
5-[ethyl-(2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-(2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 43414865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).